# generated using pymatgen
data_MoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78765941
_cell_length_b   6.78765941
_cell_length_c   6.78765941
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoS2
_chemical_formula_sum   'Mo4 S8'
_cell_volume   221.12870861
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mo  Mo0  1  0.85884800  0.85884800  0.42345700  1.0
  Mo  Mo1  1  0.42345700  0.85884800  0.85884800  1.0
  Mo  Mo2  1  0.85884800  0.85884800  0.85884800  1.0
  Mo  Mo3  1  0.85884800  0.42345700  0.85884800  1.0
  S  S4  1  0.61490900  0.15527400  0.61490900  1.0
  S  S5  1  0.15527400  0.61490900  0.61490900  1.0
  S  S6  1  0.61490900  0.61490900  0.61490900  1.0
  S  S7  1  0.11847800  0.11847800  0.11847800  1.0
  S  S8  1  0.11847800  0.64456500  0.11847800  1.0
  S  S9  1  0.11847800  0.11847800  0.64456500  1.0
  S  S10  1  0.64456500  0.11847800  0.11847800  1.0
  S  S11  1  0.61490900  0.61490900  0.15527400  1.0